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M  END
> <PUBCHEM_COMPOUND_CID>
137699675

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1380

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAADTzhgAYCCAMABAAIAAGQGAIAAAAAAAAAAAHIAAACABIAgCQHAAAEBgCQAACIAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,6R,9S,12R,15S,18S,21S,24R)-3,9,15,21-tetraisobutyl-6,12,18,24-tetraisopropyl-4,10,16,22-tetramethyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,6R,9S,12R,15S,18S,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,6<I>R</I>,9<I>S</I>,12<I>R</I>,15<I>S</I>,18<I>S</I>,21<I>S</I>,24<I>R</I>)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

> <PUBCHEM_IUPAC_NAME>
(3S,6R,9S,12R,15S,18S,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,6R,9S,12R,15S,18S,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,6R,9S,12R,15S,18S,21S,24R)-3,9,15,21-tetraisobutyl-6,12,18,24-tetraisopropyl-4,10,16,22-tetramethyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-tetraquinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37-,38+,39+,40+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QVZZPLDJERFENQ-GWUCKCKXSA-N

> <PUBCHEM_XLOGP3_AA>
10.1

> <PUBCHEM_EXACT_MASS>
908.60857413

> <PUBCHEM_MOLECULAR_FORMULA>
C48H84N4O12

> <PUBCHEM_MOLECULAR_WEIGHT>
909.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CC1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C

> <PUBCHEM_CACTVS_TPSA>
186

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
908.60857413

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
64

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  21  5
18  22  5
19  23  5
20  24  6
25  33  5
26  34  6
27  35  6
28  36  6

$$$$
